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4,N-Dihydroxybenzamidine, a member of the benzamidine class, is a chemical compound derived from hydroxybenzamidine with two hydroxyl groups attached to its benzene ring. It serves as a valuable tool in chemical research and biochemical studies due to its inhibitory activity against various enzymes, especially serine proteases like trypsin and chymotrypsin. Its unique structure and properties contribute to the understanding of enzyme kinetics and inhibition, and it holds potential in the development of pharmaceutical compounds.

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  • 49787-00-0 Structure
  • Basic information

    1. Product Name: 4,N-DIHYDROXY-BENZAMIDINE
    2. Synonyms: N',4-DIHYDROXYBENZENECARBOXIMIDAMIDE;4,N-DIHYDROXY-BENZAMIDINE;4-HYDROXY-BENZAMIDINE OXIME;BenzenecarboxiMidaMide,N,4-dihydroxy-;N,4-Dihydroxy-benzimidamide
    3. CAS NO:49787-00-0
    4. Molecular Formula: C7H8N2O2
    5. Molecular Weight: 152.15
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 49787-00-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 390.309 °C at 760 mmHg
    3. Flash Point: 189.852 °C
    4. Appearance: /
    5. Density: 1.35 g/cm3
    6. Vapor Pressure: 7.82E-05mmHg at 25°C
    7. Refractive Index: 1.657
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4,N-DIHYDROXY-BENZAMIDINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4,N-DIHYDROXY-BENZAMIDINE(49787-00-0)
    12. EPA Substance Registry System: 4,N-DIHYDROXY-BENZAMIDINE(49787-00-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 49787-00-0(Hazardous Substances Data)

49787-00-0 Usage

Uses

Used in Chemical Research:
4,N-Dihydroxybenzamidine is used as a reagent in chemical research for its ability to inhibit a range of enzymes, making it instrumental in studying enzyme kinetics and inhibition mechanisms.
Used in Biochemical Studies:
In biochemical studies, 4,N-Dihydroxybenzamidine is utilized as a reagent to explore its inhibitory effects on serine proteases such as trypsin and chymotrypsin, which aids in understanding the underlying biochemical processes and developing potential therapeutic agents.
Used in Pharmaceutical Development:
4,N-Dihydroxybenzamidine is employed as a compound in the development of pharmaceuticals due to its enzyme inhibitory properties, which can be harnessed to create new drugs targeting specific enzymes involved in diseases.
Used in Enzyme Inhibition Studies:
4,N-Dihydroxybenzamidine is used as an inhibitor in enzyme inhibition studies to examine its effects on the activity of serine proteases, providing insights into the design of enzyme-targeting drugs and the fundamental aspects of enzyme function and regulation.

Check Digit Verification of cas no

The CAS Registry Mumber 49787-00-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,7,8 and 7 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 49787-00:
(7*4)+(6*9)+(5*7)+(4*8)+(3*7)+(2*0)+(1*0)=170
170 % 10 = 0
So 49787-00-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,9,11H,8H2

49787-00-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[amino-(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one

1.2 Other means of identification

Product number -
Other names 4,N-Dihydroxy-benzamidine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:49787-00-0 SDS

49787-00-0Upstream product

49787-00-0Relevant articles and documents

Synergism of a novel 1,2,4-oxadiazole-containing derivative with oxacillin against methicillin-resistant staphylococcus aureus

Buommino, Elisabetta,D’auria, Maria Valeria,De Marino, Simona,Festa, Carmen,Piccolo, Marialuisa,Sciarretta, Martina

, (2021/11/01)

Staphylococcus aureus is an important opportunistic pathogen that causes many infections in humans and animals. The inappropriate use of antibiotics has favored the diffusion of methicillin-resistant S. aureus (MRSA), nullifying the efforts undertaken in

VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF

-

Paragraph 0236, (2020/01/24)

Disclosed herein are small molecule Vascular Adhesion Protein- 1 (VAP-1) modulator compositions, pharmaceutical compositions, the use and preparation thereof.

SSAO INHIBITOR

-

Paragraph 0234-0236; 0277-0279, (2020/04/02)

The present invention provides an SSAO inhibitor and an application thereof in preparing a drug for treating a disease related to SSAO. In particular, the present invention provides a compound shown in formula (IV) and a pharmaceutically acceptable salt thereof.

FUNGICIDAL OXADIAZOLES

-

Paragraph 0673, (2020/06/07)

Disclosed are compounds of Formula 1, including all geometric and stereoisomers, tautomers, N-oxides, and salts thereof, wherein R1, L and J are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME

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Paragraph 0136; 0137, (2018/02/28)

An amyloid fibril formation inhibitor comprising a compound represented by the following general formulae (I) to (III): wherein Q is -C(=O)-; X is -C(=O)-, -NH-C(=O)-; Y is -(CH2)m-; Z is -(CH2)n-; R1

Synthesis of novel mono and bis nitric oxide donors with high cytocompatibility and release activity

Sahyoun, Tanya,Gaucher, Caroline,Zhou, Yi,Ouaini, Na?m,Schneider, Rapha?l,Arrault, Axelle

supporting information, p. 3329 - 3332 (2018/09/27)

Four compounds bearing amidoxime functions were synthetized: (1) 2a,b bearing an aromatic amidoxime function, (2) 2c bearing an aliphatic amidoxime function, and (3) 2d bearing aromatic and aliphatic amidoximes functions. The ability of these compounds to

Small Molecule Inhibition of MicroRNA miR-21 Rescues Chemosensitivity of Renal-Cell Carcinoma to Topotecan

Naro, Yuta,Ankenbruck, Nicholas,Thomas, Meryl,Tivon, Yaniv,Connelly, Colleen M.,Gardner, Laura,Deiters, Alexander

, p. 5900 - 5909 (2018/08/04)

Chemical probes of microRNA (miRNA) function are potential tools for understanding miRNA biology that also provide new approaches for discovering therapeutics for miRNA-associated diseases. MicroRNA-21 (miR-21) is an oncogenic miRNA that is overexpressed in most cancers and has been strongly associated with driving chemoresistance in cancers such as renal cell carcinoma (RCC). Using a cell-based luciferase reporter assay to screen small molecules, we identified a novel inhibitor of miR-21 function. Following structure-activity relationship studies, an optimized lead compound demonstrated cytotoxicity in several cancer cell lines. In a chemoresistant-RCC cell line, inhibition of miR-21 via small molecule treatment rescued the expression of tumor-suppressor proteins and sensitized cells to topotecan-induced apoptosis. This resulted in a >10-fold improvement in topotecan activity in cell viability and clonogenic assays. Overall, this work reports a novel small molecule inhibitor for perturbing miR-21 function and demonstrates an approach to enhancing the potency of chemotherapeutics specifically for cancers derived from oncomir addiction.

ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE

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Paragraph 0153-0155, (2017/03/28)

Disclosed is a novel anti-enterovirus 71 (EV71) 1,2,5-thiadiazolidine-1,1-dioxide derivative or a pharmaceutically acceptable salt thereof; and specifically, a compound represented by formula (II) or a pharmaceutically acceptable salt thereof.

1, 2, 4-oxdiazole compound and its preparation method and application

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Paragraph 0066-0069, (2016/10/07)

The invention discloses a 1,2,4-oxadiazole compound and a preparation method and application thereof. The structural general formula of the compound is shown in a formula I. The preparation method comprises the following steps of: when RB is -CF3, perform

Conjugation of N-acylhydrazone and 1,2,4-oxadiazole leads to the identification of active antimalarial agents

dos Santos Filho, José Maurício,de Queiroz e Silva, Diogo Manoel Alves,Macedo, Taís Soares,Teixeira, Helena Mariana Pitangueira,Moreira, Diogo Rodrigo Magalhaes,Challal, Soura,Wolfender, Jean-Luc,Queiroz, Emerson Ferreira,Soares, Milena Botelho Pereira

, p. 5693 - 5701 (2016/11/09)

Malaria, caused by several Plasmodium species, is the major life-threatening parasitic infection worldwide. Due to the parasite resistance to quinoline based drugs, the search for antimalarial agents is necessary. Here, we report the structural design, sy

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